Hydrochloric Acid → HCID 66970783, compound

HRID 674415Notes

Reaction equation

HRID 674415 reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]([NH:15][c:16]3[n:17][cH:18][c:19]([N+:25](=[O:26])[O-:27])[c:20]([S:22][C:23]#[N:24])[n:21]3)[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[cH:28][cH:29][c:30]([O:32][CH3:33])[cH:31]1.[CH3:54][C:55]#[N:56].[CH3:57][S:58]([CH3:59])=[O:60].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[ClH:47].[F:34][c:35]1[cH:36][c:37]2[c:42]([c:43]([F:45])[cH:44]1)[O:41][CH2:40][CH2:39][CH:38]2[NH2:46].[K+:52].[K+:53]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][c:7]2[c:8]([NH:15][c:16]3[n:17][cH:18][c:19]([N+:25](=[O:26])[O-:27])[c:20]([NH:46][CH:38]4[c:37]5[cH:36][c:35]([F:34])[cH:44][c:43]([F:45])[c:42]5[O:41][CH2:40][CH2:39]4)[n:21]3)[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[cH:28][cH:29][c:30]([O:32][CH3:33])[cH:31]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 162444226,8-Difluoro-3,4-dihydro-2H-1-benzopyran-4-amineHCID 566052112-(5-Cyano-2-{[(2,4-dimethoxyphenyl)methyl]amino}anilino)-5-nitropyrimidin-4-yl thiocyanate

Product 1

HCID 66970783HCID 66970783, compound

Sources & evidence

ORD record
ord-c481892961c342a6bffbfcab5abce2f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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